Geometry & MOs

Info

ID:	342650
PubChem CID:	127265810
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	4.68
IP(EA), eV:	-8.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1-hydroxyhex-4-en-2-yl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(NC1=O)C(=CC2=CC3=C(C=C2)OCC3)C

DOS

IR

Vibrations